Geometry & MOs

Info

ID:	68058
PubChem CID:	46507679
Reduced:	FON3H18C24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	432.198383
ΔH_f, kcal/mol:	63.03
Dipole, Da:	2.9
IP(EA), eV:	-8.45(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)CC3=C(N(N=C3O2)C4=CC=CC=C4)/N=C/C5=CC=C(C=C5)F

DOS

IR

Vibrations